Name: PROTAC TYK2 degradation agent1
Rating: 5 (10 reviews)

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HIT ID:HIT218850642
Cas No:2921556-14-9
常用名:PROTAC TYK2 degradation agent1
IUPAC:6-({5-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]pyridin-2-yl}amino)-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridine-3-carboxamide
IUPAC:6-({5-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]pyridin-2-yl}amino)-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridine-3-carboxamide
InChI key:ZQBPERKIXUCCNQ-DXGZDBETSA-N

分子式:C55H69N13O7S
分子量:1056.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)c1cnc(Nc2ccc(cn2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
SMILES:CNC(=O)c1cnc(Nc2ccc(cn2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC

PROTACTYK2 degradation agent1为亚型选择性TYK2降解剂，表现出杰出的TYK2降解活性，其DC50为14 nM，适用于自身免疫性疾病研究。

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